LMPK12112897
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5799   12.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5714   11.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4021   11.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2409   11.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2494   12.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4188   13.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0716   11.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105   11.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9190   12.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0884   13.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0651   10.3334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7576   12.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6039   12.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4592   12.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4677   13.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6210   14.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7662   13.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8757   10.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3225   14.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3936   10.1359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6296   15.4460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.1140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8454   13.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844   12.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5070    9.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3183    7.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5015    6.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8713    9.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9557    6.9068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7829    9.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5985    9.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5027    8.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    7.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7787    8.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    7.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
 15 19  1  0  0  0  0
  3 20  1  0  0  0  0
 16 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  1     0  0
 30 18  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12112897

> <COMMON_NAME>
Quercetagetin 7-methyl ether 3-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O13

> <MASS>
494.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AGKJZAUTPQSZRO-VWGICKAWSA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-11-5-10-13(16(28)14(11)26)17(29)21(20(33-10)7-2-3-8(24)9(25)4-7)35-22-19(31)18(30)15(27)12(6-23)34-22/h2-5,12,15,18-19,22-28,30-31H,6H2,1H3/t12-,15-,18+,19-,22+/m1/s1

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
100978776

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$